1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one

C26H25NO2 — CID 56588373

IUPAC1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2CC(=O)C(c3ccc(C)cc3)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-19-8-10-21(11-9-19)24-18-27(17-20-6-4-3-5-7-20)25(16-26(24)28)22-12-14-23(29-2)15-13-22/h3-15,18,25H,16-17H2,1-2H3
InChIKeyHNWWAHFNGODZNJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.56
Rot. Bonds5

About 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one

1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one (PubChem CID 56588373) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
PubChem CID56588373
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2CC(=O)C(c3ccc(C)cc3)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-19-8-10-21(11-9-19)24-18-27(17-20-6-4-3-5-7-20)25(16-26(24)28)22-12-14-23(29-2)15-13-22/h3-15,18,25H,16-17H2,1-2H3
InChIKeyHNWWAHFNGODZNJ-UHFFFAOYSA-N
XLogP5.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
5-benzyl-4-(4-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856386
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
1-benzyl-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 2891265
benzyl 3-[(4-methoxyphenyl)methyl]-4-methyl-6-(4-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71768430
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
CID 71514150
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
(2S)-1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-2,3-dihydropyridin-4-one
CID 24775764
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
benzyl (2R)-6-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 34177913
dimethyl (6R,12S)-3,9-dibenzyl-1,7-bis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-5,11-dicarboxylate
CID 10876346
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one (CID 56588373) is 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one is COc1ccc(C2CC(=O)C(c3ccc(C)cc3)=CN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The InChIKey is HNWWAHFNGODZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-19-8-10-21(11-9-19)24-18-27(17-20-6-4-3-5-7-20)25(16-26(24)28)22-12-14-23(29-2)15-13-22/h3-15,18,25H,16-17H2,1-2H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one?
1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one has a molecular weight of 383.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 56588373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).